[gmx-users] Lincs Warning
samikbhat at yahoo.co.in
Wed Jul 15 13:35:02 CEST 2009
Hi all, i ma simulating a membrane protein, in which i am facing a problem in the equilibration step. in the NVT equilibration when i am running the mdrun command i am getting a msg like
Program mdrun, VERSION 4.0.5
Source code file: constr.c, line: 136
Too many LINCS warnings (1966)
If you know what you are doing you can adjust the lincs warning threshold in your mdp file
or set the environment variable GMX_MAXCONSTRWARN to -1,
but normally it is better to fix the problem
i cant understand how to fix the problem. where actually lies the error? is it in the mdp file i am using? some suggestions will be really helpful in this regard. Thank you all for the help in advance.
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